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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006518

(1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-12-[(3R,8S,9R)-9-[(1E,3E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2-methylbuta-1,3-dienyl]-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,8,9,10-tetrahydro-1H-pyrano[3,2-f]chromen-8-yl]-3,7-dimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

Formula: C69H104O6  |  Mol. Weight: 1029.60 g/mol

IUPAC: (1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-12-[(3R,8S,9R)-9-[(1E,3E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2-methylbuta-1,3-dienyl]-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,8,9,10-tetrahydro-1H-pyrano[3,2-f]chromen-8-yl]-3,7-dimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

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Overview

Molecular Formula C69H104O6
Molecular Weight 1029.60 g/mol
Canonical SMILES CC1=C(C2=C(CC(C(O2)C(=CC=CC=C(C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C)C)C=C(C)C=CC56C(CC(CC5(O6)C)O)(C)C)C7=C1OC(CC7)(C)CCCC(C)CCCC(C)CCCC(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy